[gmx-users] Cluster size and aggregation number calculation
Justin Lemkul
jalemkul at vt.edu
Tue Aug 5 18:21:39 CEST 2014
On 8/5/14, 10:18 AM, Praveen Kumar wrote:
> Hi,
>
> I am new to Gromacs. Can anybody help me to tell how to calculate cluster
> size and aggregation number in a liquid?
>
Try g_clustsize.
-Justin
--
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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